LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
variable	name string mixer

thermo_modify	flush yes
variable	seed equal 14314

###############################################
# Particle parameters
################################################

variable	rlo equal 0.3
variable	rhi equal 0.6
variable	dlo equal 2.0*${rlo}
variable	dlo equal 2.0*0.3
variable	dhi equal 2.0*${rhi}
variable	dhi equal 2.0*0.6
variable 	skin equal ${rhi}
variable 	skin equal 0.6

variable	coeffRes equal 0.1
variable	coeffFric equal 0.5

variable	kn equal 10^5
variable	kt equal 0.2*${kn}
variable	kt equal 0.2*100000

variable	gravity equal 1.0
variable	density equal 1.0

variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
variable	a equal (-2.0*log(${coeffRes})/PI)^2
variable	a equal (-2.0*log(0.1)/PI)^2
variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
variable        gamma_t equal ${gamma_n}*0.5
variable        gamma_t equal 806.699778405191*0.5

variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)

variable	dt equal ${tcol}*0.02
variable	dt equal 0.00236257621510454*0.02
timestep	${dt}
timestep	4.72515243020908e-05

###############################################

variable	dumpfreq equal 1000
variable	logfreq equal 1000

newton 		on
atom_style	sphere

boundary	p p f

region		boxreg block 0 20 0 20 0 20
create_box	1 boxreg
Created orthogonal box = (0 0 0) to (20 20 20)
  1 by 2 by 2 MPI processor grid

pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
pair_coeff	* *

neighbor        ${skin} multi
neighbor        0.6 multi
thermo 		${logfreq}
thermo 		1000

comm_style	brick
comm_modify 	mode multi group all vel yes
balance		1.1 shift xyz 20 1.1
Balancing ...
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0
  ghost atom cutoff = 0
  binsize = 20, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair gran/hertz/history, perpetual
      attributes: half, newton on, size, history
      pair build: half/size/multi/atomonly/newton
      stencil: half/multi/3d
      bin: multi
WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210)
fix		bal all balance 10000 1.1 shift xyz 20 1.01

####################### Options specific to pouring #########################

region	     	insreg cylinder z 10 10 8 10 18 side in units box
region	    	cylreg cylinder z 10 10 10 0 20 side in units box

variable	theta equal (step/400000)*2*PI

region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box

region		mixer intersect 3 cylreg b1 b2 side in

fix		grav all gravity ${gravity} vector 0 0 -1
fix		grav all gravity 1 vector 0 0 -1
fix		1 all nve/sphere

fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer

fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1

#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z

#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
#dump_modify	2 pad 6

thermo_style	custom step cpu atoms ke v_theta
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:904)
thermo_modify	flush yes lost warn

run		200000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2

@Article{Intveld08,
 author =  {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest},
 title =   {Accurate and Efficient Methods for Modeling Colloidal
            Mixtures in an Explicit Solvent using Molecular Dynamics},
 journal = {Comput.\ Phys.\ Commut.},
 year =    2008,
 volume =  179,
 pages =   {320--329}
}

@article{Shire2020,
 author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin},
 title = {{DEM} Simulations of Polydisperse Media: Efficient Contact
          Detection Applied to Investigate the Quasi-Static Limit},
 journal = {Computational Particle Mechanics},
 year = {2020}
@article{Monti2022,
 author = {Monti, Joseph M. and Clemmer, Joel T. and Srivastava, 
           Ishan and Silbert, Leonardo E. and Grest, Gary S. 
           and Lechman, Jeremy B.},
 title = {Large-scale frictionless jamming with power-law particle 
          size distributions},
 journal = {Phys. Rev. E},
 volume = {106}
 issue = {3}
 year = {2022}
}

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 444 every 84653 steps, 1000 by step 169307
Per MPI rank memory allocation (min/avg/max) = 5.816 | 5.816 | 5.816 Mbytes
   Step          CPU          Atoms        KinEng        v_theta    
         0   0                      0  -0              0            
      1000   0.088111932          444  -0              0.015707963  
      2000   0.14514013           444  -0              0.031415927  
      3000   0.19901283           444  -0              0.04712389   
      4000   0.25271154           444  -0              0.062831853  
      5000   0.30627277           444  -0              0.078539816  
      6000   0.35966654           444  -0              0.09424778   
      7000   0.41280835           444  -0              0.10995574   
      8000   0.46584491           444  -0              0.12566371   
      9000   0.51843618           444  -0              0.14137167   
     10000   0.57151612           444  -0              0.15707963   
     11000   0.61192936           444  -0              0.1727876    
     12000   0.65265862           444  -0              0.18849556   
     13000   0.69377116           444  -0              0.20420352   
     14000   0.73526123           444  -0              0.21991149   
     15000   0.77783987           444  -0              0.23561945   
     16000   0.82128542           444  -0              0.25132741   
     17000   0.86603751           444  -0              0.26703538   
     18000   0.90981059           444  -0              0.28274334   
     19000   0.95383173           444  -0              0.2984513    
     20000   0.99782061           444  -0              0.31415927   
     21000   1.0370303            444  -0              0.32986723   
     22000   1.0764103            444  -0              0.34557519   
     23000   1.1154891            444  -0              0.36128316   
     24000   1.1549694            444  -0              0.37699112   
     25000   1.1953727            444  -0              0.39269908   
     26000   1.2364474            444  -0              0.40840704   
     27000   1.2777508            444  -0              0.42411501   
     28000   1.3195763            444  -0              0.43982297   
     29000   1.3618971            444  -0              0.45553093   
     30000   1.404607             444  -0              0.4712389    
     31000   1.4428952            444  -0              0.48694686   
     32000   1.4818254            444  -0              0.50265482   
     33000   1.5205701            444  -0              0.51836279   
     34000   1.559401             444  -0              0.53407075   
     35000   1.5987318            444  -0              0.54977871   
     36000   1.6379014            444  -0              0.56548668   
     37000   1.6781504            444  -0              0.58119464   
     38000   1.7190533            444  -0              0.5969026    
     39000   1.7604269            444  -0              0.61261057   
     40000   1.8019216            444  -0              0.62831853   
     41000   1.8402535            444  -0              0.64402649   
     42000   1.8791646            444  -0              0.65973446   
     43000   1.9188237            444  -0              0.67544242   
     44000   1.9584939            444  -0              0.69115038   
     45000   1.9992043            444  -0              0.70685835   
     46000   2.04024              444  -0              0.72256631   
     47000   2.0814641            444  -0              0.73827427   
     48000   2.123407             444  -0              0.75398224   
     49000   2.165223             444  -0              0.7696902    
     50000   2.2074047            444  -0              0.78539816   
     51000   2.2456301            444  -0              0.80110613   
     52000   2.2839661            444  -0              0.81681409   
     53000   2.3227369            444  -0              0.83252205   
     54000   2.3618801            444  -0              0.84823002   
     55000   2.401451             444  -0              0.86393798   
     56000   2.4414565            444  -0              0.87964594   
     57000   2.4813918            444  -0              0.89535391   
     58000   2.5221831            444  -0              0.91106187   
     59000   2.5637488            444  -0              0.92676983   
     60000   2.6055953            444  -0              0.9424778    
     61000   2.6456326            444  -0              0.95818576   
     62000   2.6857299            444  -0              0.97389372   
     63000   2.7259082            444  -0              0.98960169   
     64000   2.7665767            444  -0              1.0053096    
     65000   2.8082755            444  -0              1.0210176    
     66000   2.8503373            444  -0              1.0367256    
     67000   2.8938769            444  -0              1.0524335    
     68000   2.9373604            444  -0              1.0681415    
     69000   2.9810674            444  -0              1.0838495    
     70000   3.0246587            444  -0              1.0995574    
     71000   3.0655215            444  -0              1.1152654    
     72000   3.1075971            444  -0              1.1309734    
     73000   3.1497688            444  -0              1.1466813    
     74000   3.1915941            444  -0              1.1623893    
     75000   3.2352454            444  -0              1.1780972    
     76000   3.2799164            444  -0              1.1938052    
     77000   3.3245184            444  -0              1.2095132    
     78000   3.3693626            444  -0              1.2252211    
     79000   3.4144403            444  -0              1.2409291    
     80000   3.4609593            444  -0              1.2566371    
     81000   3.5037956            444  -0              1.272345     
     82000   3.5460391            444  -0              1.288053     
     83000   3.5890988            444  -0              1.303761     
     84000   3.6329781            444  -0              1.3194689    
     85000   3.6969324            888  -0              1.3351769    
     86000   3.7764618            888  -0              1.3508848    
     87000   3.855693             888  -0              1.3665928    
     88000   3.9341142            888  -0              1.3823008    
     89000   4.0125134            888  -0              1.3980087    
     90000   4.0915705            888  -0              1.4137167    
     91000   4.1526623            888  -0              1.4294247    
     92000   4.2142478            888  -0              1.4451326    
     93000   4.2776631            888  -0              1.4608406    
     94000   4.3413071            888  -0              1.4765485    
     95000   4.4047448            888  -0              1.4922565    
     96000   4.4682904            888  -0              1.5079645    
     97000   4.5328349            888  -0              1.5236724    
     98000   4.5968674            888  -0              1.5393804    
     99000   4.6612212            888  -0              1.5550884    
    100000   4.7263166            888  -0              1.5707963    
    101000   4.7899218            888  -0              1.5865043    
    102000   4.8548615            888  -0              1.6022123    
    103000   4.9201477            888  -0              1.6179202    
    104000   4.9848694            888  -0              1.6336282    
    105000   5.0511867            888  -0              1.6493361    
    106000   5.1167808            888  -0              1.6650441    
    107000   5.1831053            888  -0              1.6807521    
    108000   5.250398             888  -0              1.69646      
    109000   5.3169814            888  -0              1.712168     
    110000   5.3857277            888  -0              1.727876     
    111000   5.4527691            888  -0              1.7435839    
    112000   5.5214505            888  -0              1.7592919    
    113000   5.5892604            888  -0              1.7749998    
    114000   5.6579089            888  -0              1.7907078    
    115000   5.7279007            888  -0              1.8064158    
    116000   5.7971602            888  -0              1.8221237    
    117000   5.867895             888  -0              1.8378317    
    118000   5.9400645            888  -0              1.8535397    
    119000   6.0117635            888  -0              1.8692476    
    120000   6.0851132            888  -0              1.8849556    
    121000   6.1539323            888  -0              1.9006636    
    122000   6.2231605            888  -0              1.9163715    
    123000   6.2930557            888  -0              1.9320795    
    124000   6.3632912            888  -0              1.9477874    
    125000   6.4336358            888  -0              1.9634954    
    126000   6.5042786            888  -0              1.9792034    
    127000   6.5747889            888  -0              1.9949113    
    128000   6.6452984            888  -0              2.0106193    
    129000   6.7169482            888  -0              2.0263273    
    130000   6.7865487            888  -0              2.0420352    
    131000   6.8576956            888  -0              2.0577432    
    132000   6.9296299            888  -0              2.0734512    
    133000   7.0024987            888  -0              2.0891591    
    134000   7.0753126            888  -0              2.1048671    
    135000   7.1492322            888  -0              2.120575     
    136000   7.2243825            888  -0              2.136283     
    137000   7.3005224            888  -0              2.151991     
    138000   7.378849             888  -0              2.1676989    
    139000   7.4574391            888  -0              2.1834069    
    140000   7.5370788            888  -0              2.1991149    
    141000   7.6104683            888  -0              2.2148228    
    142000   7.6840599            888  -0              2.2305308    
    143000   7.7594508            888  -0              2.2462387    
    144000   7.8338839            888  -0              2.2619467    
    145000   7.9104471            888  -0              2.2776547    
    146000   7.9862744            888  -0              2.2933626    
    147000   8.0621903            888  -0              2.3090706    
    148000   8.1403104            888  -0              2.3247786    
    149000   8.2192751            888  -0              2.3404865    
    150000   8.2988877            888  -0              2.3561945    
    151000   8.3771585            888  -0              2.3719025    
    152000   8.4559615            888  -0              2.3876104    
    153000   8.5340116            888  -0              2.4033184    
    154000   8.612764             888  -0              2.4190263    
    155000   8.6925848            888  -0              2.4347343    
    156000   8.7739307            888  -0              2.4504423    
    157000   8.8541471            888  -0              2.4661502    
    158000   8.9371669            888  -0              2.4818582    
    159000   9.0204947            888  -0              2.4975662    
    160000   9.1037153            888  -0              2.5132741    
    161000   9.1860231            888  -0              2.5289821    
    162000   9.2695251            888  -0              2.54469      
    163000   9.3537318            888  -0              2.560398     
    164000   9.4396954            888  -0              2.576106     
    165000   9.5265215            888  -0              2.5918139    
    166000   9.6140047            888  -0              2.6075219    
    167000   9.7019854            888  -0              2.6232299    
    168000   9.7918781            888  -0              2.6389378    
    169000   9.8831043            888  -0              2.6546458    
    170000   9.9785874           1000  -0              2.6703538    
    171000   10.073548           1000  -0              2.6860617    
    172000   10.164183           1000  -0              2.7017697    
    173000   10.256327           1000  -0              2.7174776    
    174000   10.353455           1000  -0              2.7331856    
    175000   10.451392           1000  -0              2.7488936    
    176000   10.549792           1000  -0              2.7646015    
    177000   10.648615           1000  -0              2.7803095    
    178000   10.747357           1000  -0              2.7960175    
    179000   10.84476            1000  -0              2.8117254    
    180000   10.942242           1000  -0              2.8274334    
    181000   11.040635           1000  -0              2.8431414    
    182000   11.139273           1000  -0              2.8588493    
    183000   11.239382           1000  -0              2.8745573    
    184000   11.339673           1000  -0              2.8902652    
    185000   11.441311           1000  -0              2.9059732    
    186000   11.543812           1000  -0              2.9216812    
    187000   11.64542            1000  -0              2.9373891    
    188000   11.74731            1000  -0              2.9530971    
    189000   11.850149           1000  -0              2.9688051    
    190000   11.952154           1000  -0              2.984513     
    191000   12.055857           1000  -0              3.000221     
    192000   12.158418           1000  -0              3.0159289    
    193000   12.261926           1000  -0              3.0316369    
    194000   12.364315           1000  -0              3.0473449    
    195000   12.466776           1000  -0              3.0630528    
    196000   12.568419           1000  -0              3.0787608    
    197000   12.670258           1000  -0              3.0944688    
    198000   12.771091           1000  -0              3.1101767    
    199000   12.873654           1000  -0              3.1258847    
    200000   12.976411           1000  -0              3.1415927    
Loop time of 12.9764 on 4 procs for 200000 steps with 1000 atoms

Performance: 62922.248 tau/day, 15412.556 timesteps/s, 15.413 Matom-step/s
99.4% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.35493    | 0.65797    | 0.98979    |  36.8 |  5.07
Neigh   | 0.0084865  | 0.011137   | 0.013852   |   2.4 |  0.09
Comm    | 3.7509     | 4.2375     | 4.7882     |  23.1 | 32.66
Output  | 0.0027947  | 0.0036594  | 0.0042822  |   0.9 |  0.03
Modify  | 5.6694     | 6.3746     | 7.0279     |  24.5 | 49.12
Other   |            | 1.692      |            |       | 13.04

Nlocal:            250 ave         260 max         242 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Nghost:         279.25 ave         325 max         232 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs:         939.75 ave        1397 max         509 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 3759
Ave neighs/atom = 3.759
Neighbor list builds = 201
Dangerous builds = 0
unfix 		ins
run		200000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 11.87 | 11.88 | 11.89 Mbytes
   Step          CPU          Atoms        KinEng        v_theta    
    200000   0                   1000   1.0071568      3.1415927    
    201000   0.093433184         1000   1.0036239      3.1573006    
    202000   0.18902203          1000   0.99846844     3.1730086    
    203000   0.28432792          1000   0.98236169     3.1887165    
    204000   0.38011419          1000   0.98625572     3.2044245    
    205000   0.47468558          1000   0.9893407      3.2201325    
    206000   0.56918796          1000   1.0012123      3.2358404    
    207000   0.66393867          1000   1.0231892      3.2515484    
    208000   0.75739212          1000   1.0265912      3.2672564    
    209000   0.85184147          1000   1.0190202      3.2829643    
    210000   0.94643219          1000   1.0267754      3.2986723    
    211000   1.0419472           1000   1.0186847      3.3143802    
    212000   1.1365263           1000   1.0159848      3.3300882    
    213000   1.232359            1000   0.99326329     3.3457962    
    214000   1.3262519           1000   0.97263135     3.3615041    
    215000   1.4200243           1000   0.97246409     3.3772121    
    216000   1.5161944           1000   0.96000626     3.3929201    
    217000   1.6118944           1000   0.95730432     3.408628     
    218000   1.7110719           1000   0.95605591     3.424336     
    219000   1.8103017           1000   0.94983        3.440044     
    220000   1.9104019           1000   0.95291888     3.4557519    
    221000   2.0104337           1000   0.93612997     3.4714599    
    222000   2.1116636           1000   0.93414081     3.4871678    
    223000   2.2119333           1000   0.93321246     3.5028758    
    224000   2.3141              1000   0.93026943     3.5185838    
    225000   2.4159209           1000   0.930478       3.5342917    
    226000   2.5183511           1000   0.92909096     3.5499997    
    227000   2.6187905           1000   0.92308495     3.5657077    
    228000   2.7162318           1000   0.91075986     3.5814156    
    229000   2.8156901           1000   0.9006662      3.5971236    
    230000   2.9175496           1000   0.88869212     3.6128316    
    231000   3.0178436           1000   0.8877611      3.6285395    
    232000   3.1199496           1000   0.89409636     3.6442475    
    233000   3.2221471           1000   0.90866091     3.6599554    
    234000   3.3254883           1000   0.90454601     3.6756634    
    235000   3.4290048           1000   0.89408327     3.6913714    
    236000   3.5311688           1000   0.8881044      3.7070793    
    237000   3.6334192           1000   0.89322168     3.7227873    
    238000   3.7368611           1000   0.89018045     3.7384953    
    239000   3.8423369           1000   0.88771268     3.7542032    
    240000   3.9476493           1000   0.88957717     3.7699112    
    241000   4.0539657           1000   0.89362036     3.7856191    
    242000   4.16111             1000   0.90967472     3.8013271    
    243000   4.2703542           1000   0.91366381     3.8170351    
    244000   4.3773387           1000   0.9150959      3.832743     
    245000   4.4845495           1000   0.92725789     3.848451     
    246000   4.5930315           1000   0.93024722     3.864159     
    247000   4.7046291           1000   0.93297974     3.8798669    
    248000   4.8170945           1000   0.94755869     3.8955749    
    249000   4.9268016           1000   0.94761679     3.9112829    
    250000   5.0368647           1000   0.92701064     3.9269908    
    251000   5.1471839           1000   0.91365252     3.9426988    
    252000   5.2579805           1000   0.90918381     3.9584067    
    253000   5.3685628           1000   0.90612685     3.9741147    
    254000   5.4809889           1000   0.90352142     3.9898227    
    255000   5.5948165           1000   0.90421567     4.0055306    
    256000   5.7098724           1000   0.90024688     4.0212386    
    257000   5.8267005           1000   0.88540341     4.0369466    
    258000   5.9410582           1000   0.87890423     4.0526545    
    259000   6.0566794           1000   0.86833748     4.0683625    
    260000   6.1707105           1000   0.85465694     4.0840704    
    261000   6.2863098           1000   0.83941242     4.0997784    
    262000   6.4015542           1000   0.81790404     4.1154864    
    263000   6.5166913           1000   0.82284562     4.1311943    
    264000   6.6306328           1000   0.80961447     4.1469023    
    265000   6.7436467           1000   0.80567073     4.1626103    
    266000   6.855163            1000   0.79577448     4.1783182    
    267000   6.9684761           1000   0.78489106     4.1940262    
    268000   7.0840143           1000   0.77348757     4.2097342    
    269000   7.1995596           1000   0.76606696     4.2254421    
    270000   7.3149459           1000   0.7649744      4.2411501    
    271000   7.4296104           1000   0.76050309     4.256858     
    272000   7.545919            1000   0.75378759     4.272566     
    273000   7.6616623           1000   0.75633811     4.288274     
    274000   7.7787912           1000   0.75703106     4.3039819    
    275000   7.8956703           1000   0.75227453     4.3196899    
    276000   8.0137649           1000   0.76003902     4.3353979    
    277000   8.1334933           1000   0.76274661     4.3511058    
    278000   8.2489616           1000   0.75888482     4.3668138    
    279000   8.3645369           1000   0.75071875     4.3825218    
    280000   8.4781847           1000   0.75454927     4.3982297    
    281000   8.5925071           1000   0.75617824     4.4139377    
    282000   8.7079255           1000   0.75230835     4.4296456    
    283000   8.8225434           1000   0.75417571     4.4453536    
    284000   8.9358224           1000   0.74559345     4.4610616    
    285000   9.0494588           1000   0.73274661     4.4767695    
    286000   9.1624226           1000   0.72385193     4.4924775    
    287000   9.2738683           1000   0.72398899     4.5081855    
    288000   9.3858476           1000   0.72009027     4.5238934    
    289000   9.496472            1000   0.72026686     4.5396014    
    290000   9.6064673           1000   0.72330145     4.5553093    
    291000   9.7157088           1000   0.71630656     4.5710173    
    292000   9.8251432           1000   0.71089192     4.5867253    
    293000   9.9340203           1000   0.70584923     4.6024332    
    294000   10.041427           1000   0.71350398     4.6181412    
    295000   10.150066           1000   0.72781836     4.6338492    
    296000   10.258912           1000   0.72285512     4.6495571    
    297000   10.368299           1000   0.71649517     4.6652651    
    298000   10.480058           1000   0.71132209     4.6809731    
    299000   10.592962           1000   0.73602072     4.696681     
    300000   10.706549           1000   0.74400837     4.712389     
    301000   10.818871           1000   0.76618562     4.7280969    
    302000   10.930873           1000   0.77476041     4.7438049    
    303000   11.040635           1000   0.77124283     4.7595129    
    304000   11.150729           1000   0.7625748      4.7752208    
    305000   11.260184           1000   0.74979361     4.7909288    
    306000   11.36913            1000   0.74515733     4.8066368    
    307000   11.477137           1000   0.74302741     4.8223447    
    308000   11.584107           1000   0.73732959     4.8380527    
    309000   11.692852           1000   0.73368237     4.8537606    
    310000   11.800777           1000   0.72374292     4.8694686    
    311000   11.906901           1000   0.72107784     4.8851766    
    312000   12.015001           1000   0.72944426     4.9008845    
    313000   12.122634           1000   0.73958637     4.9165925    
    314000   12.231473           1000   0.75160847     4.9323005    
    315000   12.343728           1000   0.74419683     4.9480084    
    316000   12.455114           1000   0.74652593     4.9637164    
    317000   12.564048           1000   0.74933482     4.9794244    
    318000   12.672355           1000   0.74200509     4.9951323    
    319000   12.778931           1000   0.7346024      5.0108403    
    320000   12.886067           1000   0.72806145     5.0265482    
    321000   12.993743           1000   0.72147888     5.0422562    
    322000   13.101955           1000   0.71460041     5.0579642    
    323000   13.212177           1000   0.70255075     5.0736721    
    324000   13.322528           1000   0.70640327     5.0893801    
    325000   13.435038           1000   0.70643428     5.1050881    
    326000   13.545443           1000   0.69751794     5.120796     
    327000   13.657538           1000   0.69035108     5.136504     
    328000   13.770475           1000   0.68068243     5.152212     
    329000   13.883136           1000   0.69123492     5.1679199    
    330000   13.995043           1000   0.70326515     5.1836279    
    331000   14.109604           1000   0.70551726     5.1993358    
    332000   14.222995           1000   0.70514444     5.2150438    
    333000   14.336604           1000   0.71102045     5.2307518    
    334000   14.44933            1000   0.71336747     5.2464597    
    335000   14.56056            1000   0.70816388     5.2621677    
    336000   14.67143            1000   0.69502472     5.2778757    
    337000   14.783295           1000   0.69314289     5.2935836    
    338000   14.893816           1000   0.68565794     5.3092916    
    339000   15.005631           1000   0.67268053     5.3249995    
    340000   15.119406           1000   0.68313196     5.3407075    
    341000   15.233786           1000   0.68782815     5.3564155    
    342000   15.349691           1000   0.6989326      5.3721234    
    343000   15.466599           1000   0.694926       5.3878314    
    344000   15.583585           1000   0.7006474      5.4035394    
    345000   15.702299           1000   0.70783177     5.4192473    
    346000   15.819367           1000   0.71334276     5.4349553    
    347000   15.935892           1000   0.72917419     5.4506633    
    348000   16.051074           1000   0.74315705     5.4663712    
    349000   16.165316           1000   0.76731311     5.4820792    
    350000   16.281794           1000   0.79761434     5.4977871    
    351000   16.397615           1000   0.80447724     5.5134951    
    352000   16.514271           1000   0.80118728     5.5292031    
    353000   16.632427           1000   0.77990459     5.544911     
    354000   16.750052           1000   0.76453299     5.560619     
    355000   16.868875           1000   0.76538392     5.576327     
    356000   16.985762           1000   0.76310698     5.5920349    
    357000   17.103471           1000   0.75897095     5.6077429    
    358000   17.223037           1000   0.75071115     5.6234508    
    359000   17.340073           1000   0.74034801     5.6391588    
    360000   17.457867           1000   0.72671924     5.6548668    
    361000   17.57503            1000   0.72111017     5.6705747    
    362000   17.69138            1000   0.71875181     5.6862827    
    363000   17.808661           1000   0.71469706     5.7019907    
    364000   17.925895           1000   0.70470493     5.7176986    
    365000   18.042976           1000   0.70863047     5.7334066    
    366000   18.162079           1000   0.70850561     5.7491146    
    367000   18.283911           1000   0.71413452     5.7648225    
    368000   18.407692           1000   0.71314184     5.7805305    
    369000   18.53068            1000   0.71309549     5.7962384    
    370000   18.652767           1000   0.71132937     5.8119464    
    371000   18.772131           1000   0.70788039     5.8276544    
    372000   18.892439           1000   0.71780071     5.8433623    
    373000   19.012886           1000   0.72352571     5.8590703    
    374000   19.132857           1000   0.71723739     5.8747783    
    375000   19.25312            1000   0.71556941     5.8904862    
    376000   19.372783           1000   0.70935312     5.9061942    
    377000   19.493215           1000   0.71551157     5.9219022    
    378000   19.614604           1000   0.7235163      5.9376101    
    379000   19.735704           1000   0.73896421     5.9533181    
    380000   19.856219           1000   0.74906169     5.969026     
    381000   19.974782           1000   0.75303336     5.984734     
    382000   20.093831           1000   0.75359492     6.000442     
    383000   20.213075           1000   0.75579354     6.0161499    
    384000   20.334366           1000   0.75178368     6.0318579    
    385000   20.455027           1000   0.74412159     6.0475659    
    386000   20.574847           1000   0.7360955      6.0632738    
    387000   20.691183           1000   0.73461103     6.0789818    
    388000   20.80664            1000   0.72496617     6.0946897    
    389000   20.92229            1000   0.7219047      6.1103977    
    390000   21.037387           1000   0.71837013     6.1261057    
    391000   21.152412           1000   0.71495923     6.1418136    
    392000   21.267451           1000   0.71436707     6.1575216    
    393000   21.382024           1000   0.71447834     6.1732296    
    394000   21.496952           1000   0.71334298     6.1889375    
    395000   21.611699           1000   0.71510229     6.2046455    
    396000   21.726328           1000   0.7121714      6.2203535    
    397000   21.840614           1000   0.70818894     6.2360614    
    398000   21.955122           1000   0.70059455     6.2517694    
    399000   22.068714           1000   0.69960089     6.2674773    
    400000   22.182962           1000   0.70261998     6.2831853    
Loop time of 22.183 on 4 procs for 200000 steps with 1000 atoms

Performance: 36807.772 tau/day, 9015.918 timesteps/s, 9.016 Matom-step/s
95.4% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1609     | 2.0592     | 2.957      |  61.9 |  9.28
Neigh   | 0.013526   | 0.018287   | 0.022861   |   3.3 |  0.08
Comm    | 7.707      | 8.9501     | 10.214     |  41.1 | 40.35
Output  | 0.0027437  | 0.0039021  | 0.0045769  |   1.1 |  0.02
Modify  | 7.9431     | 9.4082     | 10.711     |  40.5 | 42.41
Other   |            | 1.743      |            |       |  7.86

Nlocal:            250 ave         258 max         241 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Nghost:            412 ave         492 max         332 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:         1258.5 ave        1588 max         953 min
Histogram: 2 0 0 0 0 0 0 0 1 1

Total # of neighbors = 5034
Ave neighs/atom = 5.034
Neighbor list builds = 159
Dangerous builds = 0
Total wall time: 0:00:35
